CID 15428053

(1s,4s)-2-thia-5-azabicyclo[2.2.1]heptane hydrochloride

Structural Information

Molecular Formula
C5H9NS
SMILES
C1[C@H]2CN[C@@H]1CS2
InChI
InChI=1S/C5H9NS/c1-4-3-7-5(1)2-6-4/h4-6H,1-3H2/t4-,5-/m0/s1
InChIKey
LTQBUWVDIKUNHJ-WHFBIAKZSA-N
Compound name
(1S,4S)-2-thia-5-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

115.04557 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.052846 122.6
[M+Na]+ 138.034788 130.8
[M-H]- 114.038294 123.1
[M+NH4]+ 133.079393 149.1
[M+K]+ 154.008728 129.3
[M+H-H2O]+ 98.042830 118.6
[M+HCOO]- 160.043771 137.6
[M+CH3COO]- 174.059421 136.3
[M+Na-2H]- 136.020236 125.1
[M]+ 115.04502142 120.6
[M]- 115.04611858 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe